4-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}amino)pyridine-3-carbonitrile

4-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}amino)pyridine-3-carbonitrile

CAS: 339102-96-4

Formula: C15H12F3N3O

SMILES: COC1=C(C#N)C(NCC2=CC=CC(=C2)C(F)(F)F)=NC=C1

IUPAC: 4-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}amino)pyridine-3-carbonitrile

InChI: InChI=1S/C15H12F3N3O/c1-22-13-5-6-20-14(12(13)8-19)21-9-10-3-2-4-11(7-10)15(16,17)18/h2-7H,9H2,1H3,(H,20,21)

Composition: C (58.63%), H (3.94%), F (18.55%), N (13.68%), O (5.21%)

Molar Mass: 307.276

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.093246507
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RYPLTQIWAPAGQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.18
Topological Polar Surface Area	57.94
Polarizability	27.46
Ring Count	2
Rotatable Bond Count	5

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